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IMPPAT Phytochemical information:
budmunchiamine G
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY001433
Phytochemical name:
budmunchiamine G
Synonymous chemical names:
budmunchiamine g
External chemical identifiers:
CID:15337611
,
ChEMBL:CHEMBL469083
Chemical structure information
SMILES:
CCCCCCCCCCCCCC1NCCCN(C)CCCCN(CCCNC(=O)C1)C
InChI:
InChI=1S/C28H58N4O/c1-4-5-6-7-8-9-10-11-12-13-14-19-27-26-28(33)30-21-18-25-32(3)23-16-15-22-31(2)24-17-20-29-27/h27,29H,4-26H2,1-3H3,(H,30,33)
InChIKey:
YCWNIHIHFQDYID-UHFFFAOYSA-N
DeepSMILES:
CCCCCCCCCCCCCCNCCCNC)CCCCNCCCNC=O)C%17))))))C
Functional groups:
CN(C)C, CNC, CNC(C)=O
Molecular scaffolds
Scaffold Graph/Node/Bond level:
O=C1CCNCCCNCCCCNCCCN1
Scaffold Graph/Node level:
OC1CCNCCCNCCCCNCCCN1
Scaffold Graph level:
CC1CCCCCCCCCCCCCCCC1
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Phenylpropanoids and polyketides
ClassyFire Class:
Macrolactams
NP Classifier Biosynthetic pathway:
Alkaloids
NP Classifier Superclass:
Ornithine alkaloids
NP Classifier Class:
Polyamines
NP-Likeness score:
0.454
Chemical structure download
2D:
2D MOL
2D MOL2
2D SDF
3D:
3D MOL
3D MOL2
3D SDF
3D PDB
3D PDBQT
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